trans-2-Methyl-6-(3,4,5-trimethoxybenzoyloxy)decahydroisoquinoline hydrochloride
Basic information
- CAS
57464-37-6- Standard SMILES
COc1cc(C(=O)OC2CCC3C[NH+](C)CCC3C2)cc(OC)c1OC.[Cl-]- InChIKey
MGULVNWJHKOYIJ-UHFFFAOYSA-N- Molecular formula
- C20H30ClNO5
- Average molar mass
- 399.9 g/mol
- Monoisotopic mass
- 399.1812508
Names & identifiers
- Preferred name
- trans-2-Methyl-6-(3,4,5-trimethoxybenzoyloxy)decahydroisoquinoline hydrochloride
- IUPAC
- (2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-2-ium-6-yl) 3,4,5-trimethoxybenzoate chloride
Names & synonyms
57464-37-6trans-2-Methyl-6-(3,4,5-trimethoxybenzoyloxy)decahydroisoquinoline hydrochloridetrans-Decahydro-2-methyl-6-isoquinolinol 3,4,5-trimethoxybenzoate hydrochloride6-Isoquinolinol, decahydro-2-methyl-, 3,4,5-trimethoxybenzoate, hydrochloride, (E)-Benzoic acid, 3,4,5-trimethoxy-, decahydro-2-methylisoquinolin-6-yl ester, HCl, trans-cis-2-Methyl-6-(3,4,5-trimethoxybenzoyloxy)decahydroisoquinoline hydrochloride
Database identifiers
- CAS
57464-37-6- PubChem CID
- 42359
Properties
Computed structural properties
- Topological polar surface area
- 58.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 459
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Compound notes
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